(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol

C32H72O5Si3 — CID 153425778

IUPAC(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol
SMILESCC[Si](CC)(CC)CCCOC([C@H](CO)OCCC[Si](CC)(CC)CC)[C@@H](CO)OCCC[Si](CC)(CC)CC
InChIInChI=1S/C32H72O5Si3/c1-10-38(11-2,12-3)25-19-22-35-30(28-33)32(37-24-21-27-40(16-7,17-8)18-9)31(29-34)36-23-20-26-39(13-4,14-5)15-6/h30-34H,10-29H2,1-9H3/t30-,31+,32?
InChIKeyCIHHRBYKAIWKOB-BCFRNYDHSA-N
MW621.18 g/mol
LogP8.82
Rot. Bonds28

About (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol

(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol (PubChem CID 153425778) has the molecular formula C32H72O5Si3 and a molecular weight of 621.18 g/mol. Its IUPAC name is (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol.

Molecular Properties

Compound Name(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol
PubChem CID153425778
Molecular FormulaC32H72O5Si3
Molecular Weight621.18 g/mol
Exact Mass620.47
IUPAC Name(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol
SMILESCC[Si](CC)(CC)CCCOC([C@H](CO)OCCC[Si](CC)(CC)CC)[C@@H](CO)OCCC[Si](CC)(CC)CC
InChIInChI=1S/C32H72O5Si3/c1-10-38(11-2,12-3)25-19-22-35-30(28-33)32(37-24-21-27-40(16-7,17-8)18-9)31(29-34)36-23-20-26-39(13-4,14-5)15-6/h30-34H,10-29H2,1-9H3/t30-,31+,32?
InChIKeyCIHHRBYKAIWKOB-BCFRNYDHSA-N
XLogP8.82
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.18
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol
CID 153425823
2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol
CID 159017030
(2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
CID 153425807
2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
CID 153425789
(2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
CID 153425811
2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
CID 153425775
2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol
CID 153425816
triethyl(3-triethylsilyloxypropyl)silane
CID 14419245
2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol
CID 90387499
(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol
CID 153425788
(2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol
CID 153425799
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol?
The IUPAC name of (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol (CID 153425778) is (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol.
What is the SMILES notation for (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol?
The canonical SMILES for (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol is CC[Si](CC)(CC)CCCOC([C@H](CO)OCCC[Si](CC)(CC)CC)[C@@H](CO)OCCC[Si](CC)(CC)CC.
What is the InChIKey of (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol?
The InChIKey is CIHHRBYKAIWKOB-BCFRNYDHSA-N. The full InChI is InChI=1S/C32H72O5Si3/c1-10-38(11-2,12-3)25-19-22-35-30(28-33)32(37-24-21-27-40(16-7,17-8)18-9)31(29-34)36-23-20-26-39(13-4,14-5)15-6/h30-34H,10-29H2,1-9H3/t30-,31+,32?.
What are the key properties of (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol?
(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol has a molecular weight of 621.18 g/mol, XLogP of 8.82, 28 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol is sourced from PubChem (CID 153425778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).